N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

C24H23FN4O3 — CID 46357519

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C24H23FN4O3/c25-16-3-5-19-18(14-16)27-24(22-2-1-9-29(19)22)7-10-28(11-8-24)23(30)26-17-4-6-20-21(15-17)32-13-12-31-20/h1-6,9,14-15,27H,7-8,10-13H2,(H,26,30)
InChIKeyDFZHJMJQXKYTDL-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.34
Rot. Bonds1

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (PubChem CID 46357519) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
PubChem CID46357519
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C24H23FN4O3/c25-16-3-5-19-18(14-16)27-24(22-2-1-9-29(19)22)7-10-28(11-8-24)23(30)26-17-4-6-20-21(15-17)32-13-12-31-20/h1-6,9,14-15,27H,7-8,10-13H2,(H,26,30)
InChIKeyDFZHJMJQXKYTDL-UHFFFAOYSA-N
XLogP4.34
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1'-Benzyl-7-methoxy-4,5-dihydrospiro[pyrrolo(1,2-a)quinoxaline-4,4'-piperidine]
CID 21558498
N-(3,4-dimethoxyphenyl)-N'-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea
CID 16011712
N-(3,4,5-Trimethoxyphenyl)-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-A]quinoxaline]-1-carboxamide
CID 16030501
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(8-fluoroquinolin-4-yl)urea
CID 54585498
benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate
CID 70814180
US11649237, Example 104
CID 137524969
N-(2H-1,3-benzodioxol-5-yl)-(R)-7-(3,4-difluorophenyl)-3a,6-diaza-4,5,6,7-tetrahydro-6-indenecarboxamide
CID 7387531
6-[(2,3-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 16028083
5'-Ethyl-7'-methyl-N-(3,4,5-trimethoxyphenyl)-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-A]quinoxaline]-1-carboxamide
CID 16030509
7'-Fluoro-N-(3,4,5-trimethoxyphenyl)-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-A]quinoxaline]-1-carboxamide
CID 16030511
6-[(3,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960596
6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960604

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (CID 46357519) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The InChIKey is DFZHJMJQXKYTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-16-3-5-19-18(14-16)27-24(22-2-1-9-29(19)22)7-10-28(11-8-24)23(30)26-17-4-6-20-21(15-17)32-13-12-31-20/h1-6,9,14-15,27H,7-8,10-13H2,(H,26,30).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 4.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 46357519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).